2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

C24H28ClN3O3 — CID 39997657

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC1CCN(Cc2ccc(CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2)CC1
InChIInChI=1S/C24H28ClN3O3/c1-17-8-10-27(11-9-17)14-19-4-2-18(3-5-19)13-26-23(29)15-28-21-12-20(25)6-7-22(21)31-16-24(28)30/h2-7,12,17H,8-11,13-16H2,1H3,(H,26,29)
InChIKeyUMJBXCNUPLKPAX-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.61
Rot. Bonds6

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 39997657) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID39997657
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC1CCN(Cc2ccc(CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2)CC1
InChIInChI=1S/C24H28ClN3O3/c1-17-8-10-27(11-9-17)14-19-4-2-18(3-5-19)13-26-23(29)15-28-21-12-20(25)6-7-22(21)31-16-24(28)30/h2-7,12,17H,8-11,13-16H2,1H3,(H,26,29)
InChIKeyUMJBXCNUPLKPAX-UHFFFAOYSA-N
XLogP3.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46473889
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 34943168
N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 15995960
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
CID 23410828
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 26368507
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 38401142
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 6494233
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 43046838
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 1263385

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (CID 39997657) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is CC1CCN(Cc2ccc(CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2)CC1.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is UMJBXCNUPLKPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-17-8-10-27(11-9-17)14-19-4-2-18(3-5-19)13-26-23(29)15-28-21-12-20(25)6-7-22(21)31-16-24(28)30/h2-7,12,17H,8-11,13-16H2,1H3,(H,26,29).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 441.96 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 39997657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).